USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 80:sc= 1.35 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.99 K(o=2.3,f=-5.7!) USER MOD Set 2.1: A 44 SER OG : rot -85:sc= 1.21 USER MOD Set 2.2: A 58 HIS : no HD1:sc= 2.18 K(o=3.4,f=-6.5!) USER MOD Set 3.1: A 55 ASN : amide:sc= 1.67 K(o=3.8,f=-12!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -168:sc= 2.13 (180deg=0.683) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.875 X(o=-6.2,f=-5.9) USER MOD Set 4.2: A 24 ASN : amide:sc= -3.27! C(o=-6.2!,f=-9.2!) USER MOD Set 4.3: A 46 SER OG : rot -119:sc= -2.01! USER MOD Set 5.1: A 34 SER OG : rot 146:sc= 1.3 USER MOD Set 5.2: A 42 CYS SG : rot 180:sc= 1.03 USER MOD Set 6.1: A 28 THR OG1 : rot 81:sc= 1.25 USER MOD Set 6.2: A 100 ASN : amide:sc= -0.53 X(o=0.72,f=0.65) USER MOD Single : A 1 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.7) USER MOD Single : A 1 GLN N :NH3+ 147:sc= 0.554 (180deg=-0.837) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -81:sc= 0.984 USER MOD Single : A 15 SER OG : rot 82:sc= -0.266 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= -2.49! (180deg=-5.22!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 1.14 (180deg=-0.699) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.183 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.509) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00945 (180deg=-0.113) USER MOD Single : A 66 SER OG : rot -85:sc= 1.28 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -131:sc= 1.21 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 99:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.99) USER MOD Single : A 78 SER OG : rot -18:sc= 0.0458 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.00072) USER MOD Single : A 82 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.11) USER MOD Single : A 87 TYR OH : rot 3:sc= 0.336 USER MOD Single : A 88 SER OG : rot -87:sc= 0.665 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0.532 K(o=0.53,f=-5.6!) USER MOD Single : A 99 THR OG1 : rot 10:sc= 0.676 USER MOD Single : A 102 CYS SG : rot -48:sc= 0.375 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.651 -3.815 -17.770 1.00 0.00 N ATOM 2 CA GLN A 1 3.649 -5.240 -17.357 1.00 0.00 C ATOM 3 C GLN A 1 4.582 -5.459 -16.174 1.00 0.00 C ATOM 4 O GLN A 1 5.179 -6.523 -16.007 1.00 0.00 O ATOM 5 CB GLN A 1 4.041 -6.158 -18.519 1.00 0.00 C ATOM 6 CG GLN A 1 5.485 -6.022 -19.000 1.00 0.00 C ATOM 7 CD GLN A 1 5.788 -4.694 -19.668 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.920 -4.080 -20.287 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.022 -4.239 -19.530 1.00 0.00 N ATOM 0 H1 GLN A 1 3.516 -3.752 -18.799 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.879 -3.313 -17.288 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.560 -3.380 -17.513 1.00 0.00 H new ATOM 0 HA GLN A 1 2.633 -5.494 -17.054 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.872 -7.192 -18.217 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.375 -5.958 -19.359 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.155 -6.151 -18.150 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.702 -6.828 -19.701 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.710 -4.782 -19.008 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.286 -3.346 -19.945 1.00 0.00 H new ATOM 20 N ALA A 2 4.657 -4.442 -15.347 1.00 0.00 N ATOM 21 CA ALA A 2 5.544 -4.397 -14.191 1.00 0.00 C ATOM 22 C ALA A 2 5.297 -3.089 -13.469 1.00 0.00 C ATOM 23 O ALA A 2 6.215 -2.306 -13.225 1.00 0.00 O ATOM 24 CB ALA A 2 7.002 -4.504 -14.613 1.00 0.00 C ATOM 0 H ALA A 2 4.092 -3.599 -15.456 1.00 0.00 H new ATOM 0 HA ALA A 2 5.337 -5.242 -13.534 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.640 -4.468 -13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.161 -5.447 -15.137 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.251 -3.675 -15.275 1.00 0.00 H new ATOM 30 N GLU A 3 4.031 -2.865 -13.157 1.00 0.00 N ATOM 31 CA GLU A 3 3.548 -1.564 -12.724 1.00 0.00 C ATOM 32 C GLU A 3 4.215 -1.114 -11.425 1.00 0.00 C ATOM 33 O GLU A 3 4.416 -1.908 -10.505 1.00 0.00 O ATOM 34 CB GLU A 3 2.029 -1.601 -12.560 1.00 0.00 C ATOM 35 CG GLU A 3 1.305 -2.422 -13.627 1.00 0.00 C ATOM 36 CD GLU A 3 1.682 -2.049 -15.051 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.075 -1.115 -15.615 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.570 -2.709 -15.629 1.00 0.00 O ATOM 0 H GLU A 3 3.307 -3.583 -13.197 1.00 0.00 H new ATOM 0 HA GLU A 3 3.810 -0.837 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.790 -2.010 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.647 -0.580 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.523 -3.478 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.230 -2.296 -13.501 1.00 0.00 H new ATOM 45 N GLU A 4 4.521 0.182 -11.381 1.00 0.00 N ATOM 46 CA GLU A 4 5.379 0.783 -10.355 1.00 0.00 C ATOM 47 C GLU A 4 4.939 0.460 -8.932 1.00 0.00 C ATOM 48 O GLU A 4 5.775 0.244 -8.059 1.00 0.00 O ATOM 49 CB GLU A 4 5.409 2.306 -10.518 1.00 0.00 C ATOM 50 CG GLU A 4 5.646 2.781 -11.942 1.00 0.00 C ATOM 51 CD GLU A 4 6.849 2.133 -12.589 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.975 2.333 -12.089 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.670 1.436 -13.611 1.00 0.00 O ATOM 0 H GLU A 4 4.176 0.855 -12.065 1.00 0.00 H new ATOM 0 HA GLU A 4 6.369 0.352 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.463 2.716 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.192 2.712 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.760 2.570 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.780 3.863 -11.941 1.00 0.00 H new ATOM 60 N TRP A 5 3.632 0.455 -8.698 1.00 0.00 N ATOM 61 CA TRP A 5 3.094 0.283 -7.351 1.00 0.00 C ATOM 62 C TRP A 5 3.385 -1.105 -6.778 1.00 0.00 C ATOM 63 O TRP A 5 3.592 -1.248 -5.572 1.00 0.00 O ATOM 64 CB TRP A 5 1.589 0.571 -7.331 1.00 0.00 C ATOM 65 CG TRP A 5 0.873 0.154 -8.581 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.675 0.916 -9.694 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.254 -1.110 -8.845 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.013 0.204 -10.638 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.284 -1.044 -10.144 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.110 -2.296 -8.117 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.959 -2.112 -10.724 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.560 -3.355 -8.697 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.082 -3.258 -9.991 1.00 0.00 C ATOM 0 H TRP A 5 2.924 0.568 -9.423 1.00 0.00 H new ATOM 0 HA TRP A 5 3.602 1.004 -6.710 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.142 0.057 -6.480 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.436 1.639 -7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.013 1.935 -9.813 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.281 0.547 -11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.515 -2.382 -7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.372 -2.038 -11.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.683 -4.273 -8.142 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.593 -4.107 -10.420 1.00 0.00 H new ATOM 84 N TYR A 6 3.413 -2.113 -7.634 1.00 0.00 N ATOM 85 CA TYR A 6 3.634 -3.480 -7.187 1.00 0.00 C ATOM 86 C TYR A 6 5.123 -3.752 -7.030 1.00 0.00 C ATOM 87 O TYR A 6 5.826 -3.993 -8.011 1.00 0.00 O ATOM 88 CB TYR A 6 3.012 -4.476 -8.176 1.00 0.00 C ATOM 89 CG TYR A 6 3.105 -5.919 -7.730 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.232 -6.429 -6.777 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.068 -6.772 -8.258 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.319 -7.742 -6.357 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.160 -8.088 -7.847 1.00 0.00 C ATOM 94 CZ TYR A 6 3.287 -8.570 -6.896 1.00 0.00 C ATOM 95 OH TYR A 6 3.388 -9.877 -6.474 1.00 0.00 O ATOM 0 H TYR A 6 3.286 -2.012 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 6 3.152 -3.608 -6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.963 -4.219 -8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.506 -4.371 -9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.472 -5.787 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.756 -6.399 -9.002 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.635 -8.120 -5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.913 -8.736 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 6 4.119 -10.320 -6.954 1.00 0.00 H new ATOM 105 N PHE A 7 5.600 -3.692 -5.795 1.00 0.00 N ATOM 106 CA PHE A 7 7.008 -3.957 -5.502 1.00 0.00 C ATOM 107 C PHE A 7 7.270 -5.451 -5.363 1.00 0.00 C ATOM 108 O PHE A 7 8.395 -5.920 -5.558 1.00 0.00 O ATOM 109 CB PHE A 7 7.438 -3.225 -4.228 1.00 0.00 C ATOM 110 CG PHE A 7 7.775 -1.780 -4.453 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.802 -0.878 -4.845 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.072 -1.328 -4.277 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.115 0.449 -5.057 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.390 0.000 -4.487 1.00 0.00 C ATOM 115 CZ PHE A 7 8.410 0.889 -4.877 1.00 0.00 C ATOM 0 H PHE A 7 5.035 -3.462 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 7 7.598 -3.585 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.637 -3.293 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.305 -3.730 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.786 -1.216 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.843 -2.021 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.346 1.143 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.405 0.342 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.656 1.928 -5.041 1.00 0.00 H new ATOM 125 N GLY A 8 6.226 -6.192 -5.030 1.00 0.00 N ATOM 126 CA GLY A 8 6.358 -7.625 -4.869 1.00 0.00 C ATOM 127 C GLY A 8 6.299 -8.036 -3.415 1.00 0.00 C ATOM 128 O GLY A 8 5.915 -7.242 -2.558 1.00 0.00 O ATOM 0 H GLY A 8 5.288 -5.827 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.563 -8.127 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.303 -7.954 -5.301 1.00 0.00 H new ATOM 132 N LYS A 9 6.686 -9.265 -3.126 1.00 0.00 N ATOM 133 CA LYS A 9 6.648 -9.773 -1.762 1.00 0.00 C ATOM 134 C LYS A 9 7.932 -9.427 -1.003 1.00 0.00 C ATOM 135 O LYS A 9 8.834 -10.250 -0.852 1.00 0.00 O ATOM 136 CB LYS A 9 6.380 -11.284 -1.759 1.00 0.00 C ATOM 137 CG LYS A 9 7.284 -12.085 -2.681 1.00 0.00 C ATOM 138 CD LYS A 9 6.800 -13.519 -2.812 1.00 0.00 C ATOM 139 CE LYS A 9 7.720 -14.338 -3.696 1.00 0.00 C ATOM 140 NZ LYS A 9 7.162 -15.685 -3.984 1.00 0.00 N ATOM 0 H LYS A 9 7.031 -9.932 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 9 5.826 -9.285 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.495 -11.659 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.343 -11.457 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.312 -11.616 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.303 -12.076 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.741 -13.976 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.792 -13.527 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.889 -13.808 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.690 -14.444 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.822 -16.212 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.024 -16.202 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.248 -15.585 -4.471 1.00 0.00 H new ATOM 154 N ILE A 10 8.011 -8.184 -0.546 1.00 0.00 N ATOM 155 CA ILE A 10 9.154 -7.718 0.228 1.00 0.00 C ATOM 156 C ILE A 10 8.845 -7.770 1.724 1.00 0.00 C ATOM 157 O ILE A 10 7.691 -7.621 2.136 1.00 0.00 O ATOM 158 CB ILE A 10 9.558 -6.280 -0.170 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.362 -5.331 -0.066 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.132 -6.257 -1.583 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.690 -3.901 -0.432 1.00 0.00 C ATOM 0 H ILE A 10 7.292 -7.477 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 10 9.990 -8.382 0.009 1.00 0.00 H new ATOM 0 HB ILE A 10 10.327 -5.940 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.566 -5.691 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.976 -5.357 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.411 -5.237 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.013 -6.897 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.383 -6.621 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.795 -3.286 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.464 -3.523 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.048 -3.862 -1.461 1.00 0.00 H new ATOM 173 N THR A 11 9.880 -7.985 2.527 1.00 0.00 N ATOM 174 CA THR A 11 9.725 -8.138 3.970 1.00 0.00 C ATOM 175 C THR A 11 9.496 -6.796 4.662 1.00 0.00 C ATOM 176 O THR A 11 9.633 -5.739 4.038 1.00 0.00 O ATOM 177 CB THR A 11 10.961 -8.816 4.598 1.00 0.00 C ATOM 178 OG1 THR A 11 12.151 -8.098 4.243 1.00 0.00 O ATOM 179 CG2 THR A 11 11.082 -10.263 4.143 1.00 0.00 C ATOM 0 H THR A 11 10.844 -8.058 2.201 1.00 0.00 H new ATOM 0 HA THR A 11 8.848 -8.768 4.119 1.00 0.00 H new ATOM 0 HB THR A 11 10.838 -8.803 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.434 -8.359 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.961 -10.716 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.191 -10.815 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.180 -10.296 3.058 1.00 0.00 H new ATOM 187 N ARG A 12 9.159 -6.834 5.949 1.00 0.00 N ATOM 188 CA ARG A 12 8.961 -5.608 6.721 1.00 0.00 C ATOM 189 C ARG A 12 10.216 -4.743 6.709 1.00 0.00 C ATOM 190 O ARG A 12 10.143 -3.543 6.449 1.00 0.00 O ATOM 191 CB ARG A 12 8.580 -5.909 8.172 1.00 0.00 C ATOM 192 CG ARG A 12 7.165 -6.430 8.354 1.00 0.00 C ATOM 193 CD ARG A 12 6.749 -6.353 9.815 1.00 0.00 C ATOM 194 NE ARG A 12 6.870 -4.990 10.333 1.00 0.00 N ATOM 195 CZ ARG A 12 6.827 -4.661 11.621 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.606 -5.589 12.545 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.998 -3.395 11.982 1.00 0.00 N ATOM 0 H ARG A 12 9.018 -7.695 6.478 1.00 0.00 H new ATOM 0 HA ARG A 12 8.142 -5.068 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.279 -6.643 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.698 -5.000 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.476 -5.847 7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.104 -7.462 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.719 -6.694 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.369 -7.026 10.408 1.00 0.00 H new ATOM 0 HE ARG A 12 6.997 -4.237 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.468 -6.561 12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.574 -5.330 13.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.161 -2.680 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.966 -3.137 12.968 1.00 0.00 H new ATOM 211 N ARG A 13 11.362 -5.367 6.976 1.00 0.00 N ATOM 212 CA ARG A 13 12.629 -4.649 7.048 1.00 0.00 C ATOM 213 C ARG A 13 12.907 -3.894 5.756 1.00 0.00 C ATOM 214 O ARG A 13 13.351 -2.752 5.788 1.00 0.00 O ATOM 215 CB ARG A 13 13.779 -5.609 7.346 1.00 0.00 C ATOM 216 CG ARG A 13 13.640 -6.335 8.674 1.00 0.00 C ATOM 217 CD ARG A 13 14.898 -7.114 9.018 1.00 0.00 C ATOM 218 NE ARG A 13 15.999 -6.231 9.414 1.00 0.00 N ATOM 219 CZ ARG A 13 17.220 -6.270 8.880 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.498 -7.122 7.901 1.00 0.00 N ATOM 221 NH2 ARG A 13 18.171 -5.455 9.324 1.00 0.00 N ATOM 0 H ARG A 13 11.437 -6.370 7.146 1.00 0.00 H new ATOM 0 HA ARG A 13 12.552 -3.927 7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.843 -6.345 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.716 -5.052 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.430 -5.614 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.790 -7.016 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.683 -7.811 9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.202 -7.710 8.157 1.00 0.00 H new ATOM 0 HE ARG A 13 15.819 -5.543 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.775 -7.752 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.434 -7.147 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.968 -4.796 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.104 -5.488 8.913 1.00 0.00 H new ATOM 235 N GLU A 14 12.625 -4.529 4.624 1.00 0.00 N ATOM 236 CA GLU A 14 12.807 -3.892 3.324 1.00 0.00 C ATOM 237 C GLU A 14 11.842 -2.721 3.162 1.00 0.00 C ATOM 238 O GLU A 14 12.251 -1.596 2.878 1.00 0.00 O ATOM 239 CB GLU A 14 12.582 -4.903 2.196 1.00 0.00 C ATOM 240 CG GLU A 14 13.564 -6.062 2.205 1.00 0.00 C ATOM 241 CD GLU A 14 13.182 -7.161 1.236 1.00 0.00 C ATOM 242 OE1 GLU A 14 13.613 -7.114 0.065 1.00 0.00 O ATOM 243 OE2 GLU A 14 12.456 -8.089 1.647 1.00 0.00 O ATOM 0 H GLU A 14 12.270 -5.484 4.580 1.00 0.00 H new ATOM 0 HA GLU A 14 13.830 -3.519 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.569 -5.297 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.653 -4.387 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.558 -5.692 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.622 -6.475 3.212 1.00 0.00 H new ATOM 250 N SER A 15 10.564 -2.998 3.381 1.00 0.00 N ATOM 251 CA SER A 15 9.503 -2.023 3.161 1.00 0.00 C ATOM 252 C SER A 15 9.663 -0.806 4.068 1.00 0.00 C ATOM 253 O SER A 15 9.736 0.329 3.599 1.00 0.00 O ATOM 254 CB SER A 15 8.148 -2.682 3.421 1.00 0.00 C ATOM 255 OG SER A 15 8.065 -3.939 2.774 1.00 0.00 O ATOM 0 H SER A 15 10.233 -3.903 3.716 1.00 0.00 H new ATOM 0 HA SER A 15 9.563 -1.681 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.001 -2.810 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.349 -2.032 3.065 1.00 0.00 H new ATOM 0 HG SER A 15 8.506 -4.620 3.324 1.00 0.00 H new ATOM 261 N GLU A 16 9.742 -1.049 5.366 1.00 0.00 N ATOM 262 CA GLU A 16 9.748 0.025 6.346 1.00 0.00 C ATOM 263 C GLU A 16 11.058 0.800 6.338 1.00 0.00 C ATOM 264 O GLU A 16 11.092 1.956 6.738 1.00 0.00 O ATOM 265 CB GLU A 16 9.437 -0.531 7.737 1.00 0.00 C ATOM 266 CG GLU A 16 7.965 -0.868 7.911 1.00 0.00 C ATOM 267 CD GLU A 16 7.678 -1.726 9.124 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.080 -1.352 10.247 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.028 -2.775 8.959 1.00 0.00 O ATOM 0 H GLU A 16 9.803 -1.985 5.767 1.00 0.00 H new ATOM 0 HA GLU A 16 8.967 0.734 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.035 -1.426 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.731 0.199 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.396 0.058 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.612 -1.385 7.019 1.00 0.00 H new ATOM 276 N ARG A 17 12.129 0.191 5.851 1.00 0.00 N ATOM 277 CA ARG A 17 13.407 0.894 5.779 1.00 0.00 C ATOM 278 C ARG A 17 13.399 1.878 4.609 1.00 0.00 C ATOM 279 O ARG A 17 14.146 2.854 4.598 1.00 0.00 O ATOM 280 CB ARG A 17 14.572 -0.091 5.646 1.00 0.00 C ATOM 281 CG ARG A 17 15.919 0.485 6.060 1.00 0.00 C ATOM 282 CD ARG A 17 15.865 1.051 7.474 1.00 0.00 C ATOM 283 NE ARG A 17 17.193 1.333 8.017 1.00 0.00 N ATOM 284 CZ ARG A 17 17.521 2.471 8.632 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.677 3.494 8.643 1.00 0.00 N ATOM 286 NH2 ARG A 17 18.711 2.600 9.211 1.00 0.00 N ATOM 0 H ARG A 17 12.144 -0.769 5.506 1.00 0.00 H new ATOM 0 HA ARG A 17 13.545 1.450 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.362 -0.971 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.634 -0.427 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.682 -0.292 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.212 1.270 5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.275 1.967 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.353 0.343 8.126 1.00 0.00 H new ATOM 0 HE ARG A 17 17.912 0.616 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.772 3.413 8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.933 4.361 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.377 1.828 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.958 3.471 9.680 1.00 0.00 H new ATOM 300 N LEU A 18 12.541 1.613 3.631 1.00 0.00 N ATOM 301 CA LEU A 18 12.376 2.512 2.497 1.00 0.00 C ATOM 302 C LEU A 18 11.313 3.567 2.791 1.00 0.00 C ATOM 303 O LEU A 18 11.284 4.623 2.162 1.00 0.00 O ATOM 304 CB LEU A 18 11.991 1.726 1.241 1.00 0.00 C ATOM 305 CG LEU A 18 13.054 0.758 0.719 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.526 -0.017 -0.480 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.324 1.512 0.350 1.00 0.00 C ATOM 0 H LEU A 18 11.949 0.783 3.601 1.00 0.00 H new ATOM 0 HA LEU A 18 13.328 3.013 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.082 1.162 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.750 2.435 0.449 1.00 0.00 H new ATOM 0 HG LEU A 18 13.292 0.047 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.295 -0.701 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.644 -0.585 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.261 0.680 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.070 0.809 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.100 2.244 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.712 2.024 1.231 1.00 0.00 H new ATOM 319 N LEU A 19 10.434 3.273 3.743 1.00 0.00 N ATOM 320 CA LEU A 19 9.356 4.193 4.086 1.00 0.00 C ATOM 321 C LEU A 19 9.739 5.109 5.248 1.00 0.00 C ATOM 322 O LEU A 19 9.292 6.253 5.308 1.00 0.00 O ATOM 323 CB LEU A 19 8.077 3.426 4.417 1.00 0.00 C ATOM 324 CG LEU A 19 7.545 2.533 3.293 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.256 1.861 3.721 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.333 3.336 2.015 1.00 0.00 C ATOM 0 H LEU A 19 10.446 2.411 4.288 1.00 0.00 H new ATOM 0 HA LEU A 19 9.176 4.821 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.260 2.807 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.302 4.143 4.688 1.00 0.00 H new ATOM 0 HG LEU A 19 8.288 1.762 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.889 1.229 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.440 1.249 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.510 2.621 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.955 2.680 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.612 4.132 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.280 3.772 1.698 1.00 0.00 H new ATOM 338 N LEU A 20 10.565 4.612 6.166 1.00 0.00 N ATOM 339 CA LEU A 20 11.027 5.421 7.293 1.00 0.00 C ATOM 340 C LEU A 20 12.129 6.387 6.867 1.00 0.00 C ATOM 341 O LEU A 20 13.214 6.413 7.450 1.00 0.00 O ATOM 342 CB LEU A 20 11.523 4.541 8.447 1.00 0.00 C ATOM 343 CG LEU A 20 10.476 4.201 9.515 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.876 5.470 10.102 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.382 3.308 8.952 1.00 0.00 C ATOM 0 H LEU A 20 10.927 3.658 6.153 1.00 0.00 H new ATOM 0 HA LEU A 20 10.172 6.000 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.908 3.610 8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.360 5.044 8.931 1.00 0.00 H new ATOM 0 HG LEU A 20 10.980 3.653 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.136 5.207 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.665 6.068 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.397 6.046 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.656 3.085 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.883 3.819 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.821 2.379 8.590 1.00 0.00 H new ATOM 357 N ASN A 21 11.846 7.164 5.839 1.00 0.00 N ATOM 358 CA ASN A 21 12.741 8.219 5.405 1.00 0.00 C ATOM 359 C ASN A 21 12.062 9.552 5.647 1.00 0.00 C ATOM 360 O ASN A 21 10.925 9.749 5.234 1.00 0.00 O ATOM 361 CB ASN A 21 13.085 8.087 3.919 1.00 0.00 C ATOM 362 CG ASN A 21 13.845 6.822 3.583 1.00 0.00 C ATOM 363 OD1 ASN A 21 14.590 6.286 4.404 1.00 0.00 O ATOM 364 ND2 ASN A 21 13.670 6.343 2.365 1.00 0.00 N ATOM 0 H ASN A 21 10.994 7.082 5.284 1.00 0.00 H new ATOM 0 HA ASN A 21 13.670 8.146 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.163 8.112 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.678 8.949 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.161 5.498 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.043 6.818 1.715 1.00 0.00 H new ATOM 371 N PRO A 22 12.750 10.486 6.316 1.00 0.00 N ATOM 372 CA PRO A 22 12.182 11.797 6.667 1.00 0.00 C ATOM 373 C PRO A 22 11.772 12.613 5.443 1.00 0.00 C ATOM 374 O PRO A 22 11.080 13.625 5.561 1.00 0.00 O ATOM 375 CB PRO A 22 13.320 12.498 7.418 1.00 0.00 C ATOM 376 CG PRO A 22 14.234 11.401 7.853 1.00 0.00 C ATOM 377 CD PRO A 22 14.132 10.342 6.798 1.00 0.00 C ATOM 0 HA PRO A 22 11.268 11.690 7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.837 13.210 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.942 13.058 8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.259 11.760 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.941 11.011 8.828 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.856 10.498 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.316 9.348 7.205 1.00 0.00 H new ATOM 385 N GLU A 23 12.202 12.162 4.273 1.00 0.00 N ATOM 386 CA GLU A 23 11.889 12.843 3.028 1.00 0.00 C ATOM 387 C GLU A 23 10.519 12.425 2.513 1.00 0.00 C ATOM 388 O GLU A 23 9.802 13.233 1.922 1.00 0.00 O ATOM 389 CB GLU A 23 12.960 12.541 1.977 1.00 0.00 C ATOM 390 CG GLU A 23 14.375 12.804 2.464 1.00 0.00 C ATOM 391 CD GLU A 23 14.524 14.167 3.108 1.00 0.00 C ATOM 392 OE1 GLU A 23 14.487 15.180 2.382 1.00 0.00 O ATOM 393 OE2 GLU A 23 14.664 14.229 4.348 1.00 0.00 O ATOM 0 H GLU A 23 12.771 11.323 4.162 1.00 0.00 H new ATOM 0 HA GLU A 23 11.872 13.916 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.876 11.497 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.770 13.147 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.658 12.034 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.065 12.725 1.624 1.00 0.00 H new ATOM 400 N ASN A 24 10.159 11.164 2.759 1.00 0.00 N ATOM 401 CA ASN A 24 8.892 10.599 2.294 1.00 0.00 C ATOM 402 C ASN A 24 7.706 11.444 2.739 1.00 0.00 C ATOM 403 O ASN A 24 7.456 11.599 3.936 1.00 0.00 O ATOM 404 CB ASN A 24 8.714 9.172 2.820 1.00 0.00 C ATOM 405 CG ASN A 24 9.727 8.203 2.248 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.829 8.586 1.861 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.369 6.935 2.205 1.00 0.00 N ATOM 0 H ASN A 24 10.736 10.508 3.285 1.00 0.00 H new ATOM 0 HA ASN A 24 8.925 10.589 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.797 9.178 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.710 8.824 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.015 6.235 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.446 6.654 2.535 1.00 0.00 H new ATOM 414 N PRO A 25 6.967 12.013 1.780 1.00 0.00 N ATOM 415 CA PRO A 25 5.768 12.794 2.073 1.00 0.00 C ATOM 416 C PRO A 25 4.563 11.906 2.364 1.00 0.00 C ATOM 417 O PRO A 25 4.479 10.770 1.882 1.00 0.00 O ATOM 418 CB PRO A 25 5.551 13.586 0.784 1.00 0.00 C ATOM 419 CG PRO A 25 6.131 12.733 -0.295 1.00 0.00 C ATOM 420 CD PRO A 25 7.252 11.947 0.333 1.00 0.00 C ATOM 0 HA PRO A 25 5.884 13.417 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.492 13.776 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.045 14.556 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.375 12.066 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.501 13.346 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.267 10.917 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.224 12.380 0.097 1.00 0.00 H new ATOM 428 N ARG A 26 3.644 12.418 3.176 1.00 0.00 N ATOM 429 CA ARG A 26 2.398 11.723 3.472 1.00 0.00 C ATOM 430 C ARG A 26 1.656 11.390 2.183 1.00 0.00 C ATOM 431 O ARG A 26 1.249 12.285 1.445 1.00 0.00 O ATOM 432 CB ARG A 26 1.519 12.593 4.371 1.00 0.00 C ATOM 433 CG ARG A 26 0.104 12.071 4.559 1.00 0.00 C ATOM 434 CD ARG A 26 -0.767 13.092 5.271 1.00 0.00 C ATOM 435 NE ARG A 26 -0.671 14.412 4.640 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.411 15.465 4.977 1.00 0.00 C ATOM 437 NH1 ARG A 26 -2.363 15.351 5.893 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.204 16.631 4.377 1.00 0.00 N ATOM 0 H ARG A 26 3.741 13.319 3.644 1.00 0.00 H new ATOM 0 HA ARG A 26 2.630 10.793 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.994 12.681 5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.470 13.597 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.330 11.832 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.128 11.145 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.804 12.757 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.465 13.164 6.316 1.00 0.00 H new ATOM 0 HE ARG A 26 0.011 14.531 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.532 14.452 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.927 16.162 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.481 16.716 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.768 17.442 4.631 1.00 0.00 H new ATOM 452 N GLY A 27 1.494 10.104 1.916 1.00 0.00 N ATOM 453 CA GLY A 27 0.843 9.676 0.694 1.00 0.00 C ATOM 454 C GLY A 27 1.720 8.752 -0.120 1.00 0.00 C ATOM 455 O GLY A 27 1.311 8.265 -1.174 1.00 0.00 O ATOM 0 H GLY A 27 1.802 9.346 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.090 9.168 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.583 10.550 0.096 1.00 0.00 H new ATOM 459 N THR A 28 2.938 8.532 0.367 1.00 0.00 N ATOM 460 CA THR A 28 3.861 7.590 -0.252 1.00 0.00 C ATOM 461 C THR A 28 3.409 6.160 0.023 1.00 0.00 C ATOM 462 O THR A 28 3.272 5.766 1.179 1.00 0.00 O ATOM 463 CB THR A 28 5.291 7.789 0.290 1.00 0.00 C ATOM 464 OG1 THR A 28 5.687 9.157 0.112 1.00 0.00 O ATOM 465 CG2 THR A 28 6.283 6.873 -0.411 1.00 0.00 C ATOM 0 H THR A 28 3.309 8.998 1.195 1.00 0.00 H new ATOM 0 HA THR A 28 3.864 7.772 -1.327 1.00 0.00 H new ATOM 0 HB THR A 28 5.290 7.538 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.304 9.704 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.281 7.039 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.994 5.834 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.285 7.089 -1.479 1.00 0.00 H new ATOM 473 N PHE A 29 3.167 5.388 -1.024 1.00 0.00 N ATOM 474 CA PHE A 29 2.633 4.044 -0.853 1.00 0.00 C ATOM 475 C PHE A 29 3.362 3.029 -1.723 1.00 0.00 C ATOM 476 O PHE A 29 4.002 3.385 -2.714 1.00 0.00 O ATOM 477 CB PHE A 29 1.141 4.024 -1.200 1.00 0.00 C ATOM 478 CG PHE A 29 0.849 4.207 -2.669 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.777 5.474 -3.227 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.645 3.109 -3.492 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.510 5.642 -4.573 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.376 3.272 -4.837 1.00 0.00 C ATOM 483 CZ PHE A 29 0.308 4.540 -5.377 1.00 0.00 C ATOM 0 H PHE A 29 3.329 5.664 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 29 2.780 3.767 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.715 3.076 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.638 4.812 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.932 6.341 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.697 2.114 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.460 6.635 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.219 2.408 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.097 4.669 -6.428 1.00 0.00 H new ATOM 493 N LEU A 30 3.257 1.767 -1.336 1.00 0.00 N ATOM 494 CA LEU A 30 3.723 0.657 -2.154 1.00 0.00 C ATOM 495 C LEU A 30 2.955 -0.601 -1.766 1.00 0.00 C ATOM 496 O LEU A 30 2.717 -0.846 -0.583 1.00 0.00 O ATOM 497 CB LEU A 30 5.242 0.430 -2.009 1.00 0.00 C ATOM 498 CG LEU A 30 5.725 -0.226 -0.705 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.215 -0.529 -0.780 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.439 0.664 0.491 1.00 0.00 C ATOM 0 H LEU A 30 2.847 1.483 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 30 3.538 0.898 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.574 -0.188 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.740 1.394 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 30 5.178 -1.161 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.539 -0.993 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.407 -1.209 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.767 0.398 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.791 0.176 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.955 1.616 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.366 0.840 0.565 1.00 0.00 H new ATOM 512 N VAL A 31 2.540 -1.380 -2.749 1.00 0.00 N ATOM 513 CA VAL A 31 1.809 -2.602 -2.465 1.00 0.00 C ATOM 514 C VAL A 31 2.733 -3.810 -2.545 1.00 0.00 C ATOM 515 O VAL A 31 3.278 -4.142 -3.603 1.00 0.00 O ATOM 516 CB VAL A 31 0.568 -2.779 -3.379 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.874 -2.401 -4.808 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.024 -4.198 -3.307 1.00 0.00 C ATOM 0 H VAL A 31 2.694 -1.192 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 31 1.431 -2.522 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.201 -2.101 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.018 -2.537 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.186 -1.357 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.675 -3.035 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.845 -4.288 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.794 -4.899 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.267 -4.425 -2.281 1.00 0.00 H new ATOM 528 N ARG A 32 2.922 -4.441 -1.402 1.00 0.00 N ATOM 529 CA ARG A 32 3.784 -5.600 -1.290 1.00 0.00 C ATOM 530 C ARG A 32 2.954 -6.818 -0.918 1.00 0.00 C ATOM 531 O ARG A 32 1.847 -6.677 -0.411 1.00 0.00 O ATOM 532 CB ARG A 32 4.838 -5.362 -0.209 1.00 0.00 C ATOM 533 CG ARG A 32 4.245 -5.203 1.180 1.00 0.00 C ATOM 534 CD ARG A 32 5.321 -5.144 2.244 1.00 0.00 C ATOM 535 NE ARG A 32 4.751 -5.200 3.586 1.00 0.00 N ATOM 536 CZ ARG A 32 4.932 -6.220 4.425 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.713 -7.237 4.078 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.343 -6.214 5.612 1.00 0.00 N ATOM 0 H ARG A 32 2.482 -4.164 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 32 4.278 -5.769 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.539 -6.197 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.409 -4.467 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.645 -4.294 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.574 -6.036 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.015 -5.974 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.896 -4.225 2.130 1.00 0.00 H new ATOM 0 HE ARG A 32 4.182 -4.414 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.175 -7.238 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.851 -8.017 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.751 -5.429 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.481 -6.994 6.254 1.00 0.00 H new ATOM 552 N GLU A 33 3.480 -8.006 -1.162 1.00 0.00 N ATOM 553 CA GLU A 33 2.814 -9.221 -0.728 1.00 0.00 C ATOM 554 C GLU A 33 3.460 -9.721 0.556 1.00 0.00 C ATOM 555 O GLU A 33 4.677 -9.649 0.712 1.00 0.00 O ATOM 556 CB GLU A 33 2.874 -10.308 -1.805 1.00 0.00 C ATOM 557 CG GLU A 33 2.082 -11.557 -1.441 1.00 0.00 C ATOM 558 CD GLU A 33 2.121 -12.620 -2.518 1.00 0.00 C ATOM 559 OE1 GLU A 33 1.298 -12.554 -3.455 1.00 0.00 O ATOM 560 OE2 GLU A 33 2.962 -13.534 -2.425 1.00 0.00 O ATOM 0 H GLU A 33 4.360 -8.155 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 33 1.764 -8.992 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.492 -9.903 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.915 -10.583 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.477 -11.973 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.045 -11.280 -1.250 1.00 0.00 H new ATOM 567 N SER A 34 2.645 -10.195 1.482 1.00 0.00 N ATOM 568 CA SER A 34 3.145 -10.708 2.742 1.00 0.00 C ATOM 569 C SER A 34 3.198 -12.230 2.709 1.00 0.00 C ATOM 570 O SER A 34 2.169 -12.896 2.618 1.00 0.00 O ATOM 571 CB SER A 34 2.257 -10.218 3.881 1.00 0.00 C ATOM 572 OG SER A 34 2.209 -8.802 3.897 1.00 0.00 O ATOM 0 H SER A 34 1.631 -10.235 1.383 1.00 0.00 H new ATOM 0 HA SER A 34 4.158 -10.340 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.251 -10.621 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.640 -10.586 4.833 1.00 0.00 H new ATOM 0 HG SER A 34 1.321 -8.508 4.191 1.00 0.00 H new ATOM 578 N GLU A 35 4.409 -12.767 2.801 1.00 0.00 N ATOM 579 CA GLU A 35 4.641 -14.205 2.675 1.00 0.00 C ATOM 580 C GLU A 35 3.966 -14.970 3.811 1.00 0.00 C ATOM 581 O GLU A 35 3.781 -16.186 3.733 1.00 0.00 O ATOM 582 CB GLU A 35 6.144 -14.511 2.673 1.00 0.00 C ATOM 583 CG GLU A 35 7.002 -13.420 2.051 1.00 0.00 C ATOM 584 CD GLU A 35 7.484 -12.409 3.075 1.00 0.00 C ATOM 585 OE1 GLU A 35 6.665 -11.600 3.561 1.00 0.00 O ATOM 586 OE2 GLU A 35 8.680 -12.450 3.430 1.00 0.00 O ATOM 0 H GLU A 35 5.256 -12.222 2.964 1.00 0.00 H new ATOM 0 HA GLU A 35 4.208 -14.528 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.471 -14.674 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.313 -15.443 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.863 -13.874 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.429 -12.906 1.279 1.00 0.00 H new ATOM 593 N THR A 36 3.616 -14.247 4.870 1.00 0.00 N ATOM 594 CA THR A 36 2.895 -14.817 5.999 1.00 0.00 C ATOM 595 C THR A 36 1.529 -15.357 5.554 1.00 0.00 C ATOM 596 O THR A 36 0.942 -16.216 6.211 1.00 0.00 O ATOM 597 CB THR A 36 2.717 -13.771 7.127 1.00 0.00 C ATOM 598 OG1 THR A 36 2.097 -14.364 8.272 1.00 0.00 O ATOM 599 CG2 THR A 36 1.885 -12.584 6.653 1.00 0.00 C ATOM 0 H THR A 36 3.824 -13.253 4.968 1.00 0.00 H new ATOM 0 HA THR A 36 3.486 -15.646 6.390 1.00 0.00 H new ATOM 0 HB THR A 36 3.709 -13.413 7.401 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.994 -13.689 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.777 -11.867 7.467 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.383 -12.104 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.899 -12.931 6.343 1.00 0.00 H new ATOM 607 N THR A 37 1.034 -14.847 4.431 1.00 0.00 N ATOM 608 CA THR A 37 -0.202 -15.331 3.838 1.00 0.00 C ATOM 609 C THR A 37 -0.164 -15.124 2.326 1.00 0.00 C ATOM 610 O THR A 37 -0.347 -14.010 1.833 1.00 0.00 O ATOM 611 CB THR A 37 -1.439 -14.626 4.439 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.464 -14.811 5.864 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.725 -15.175 3.837 1.00 0.00 C ATOM 0 H THR A 37 1.478 -14.090 3.910 1.00 0.00 H new ATOM 0 HA THR A 37 -0.288 -16.395 4.061 1.00 0.00 H new ATOM 0 HB THR A 37 -1.370 -13.563 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.249 -14.360 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.580 -14.662 4.277 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.720 -15.014 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.797 -16.243 4.044 1.00 0.00 H new ATOM 621 N LYS A 38 0.100 -16.204 1.606 1.00 0.00 N ATOM 622 CA LYS A 38 0.235 -16.169 0.160 1.00 0.00 C ATOM 623 C LYS A 38 -1.007 -15.571 -0.493 1.00 0.00 C ATOM 624 O LYS A 38 -2.092 -16.150 -0.436 1.00 0.00 O ATOM 625 CB LYS A 38 0.462 -17.588 -0.350 1.00 0.00 C ATOM 626 CG LYS A 38 0.956 -17.654 -1.775 1.00 0.00 C ATOM 627 CD LYS A 38 1.242 -19.087 -2.210 1.00 0.00 C ATOM 628 CE LYS A 38 2.478 -19.672 -1.532 1.00 0.00 C ATOM 629 NZ LYS A 38 2.268 -19.954 -0.084 1.00 0.00 N ATOM 0 H LYS A 38 0.227 -17.132 2.011 1.00 0.00 H new ATOM 0 HA LYS A 38 1.085 -15.538 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.184 -18.085 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.472 -18.145 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.211 -17.215 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.862 -17.057 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.378 -19.711 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.378 -19.114 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.762 -20.594 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.311 -18.977 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.727 -20.853 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.681 -19.186 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.249 -20.019 0.113 1.00 0.00 H new ATOM 643 N GLY A 39 -0.848 -14.406 -1.104 1.00 0.00 N ATOM 644 CA GLY A 39 -1.963 -13.760 -1.764 1.00 0.00 C ATOM 645 C GLY A 39 -2.533 -12.614 -0.956 1.00 0.00 C ATOM 646 O GLY A 39 -3.479 -11.952 -1.386 1.00 0.00 O ATOM 0 H GLY A 39 0.034 -13.896 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.639 -13.389 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.747 -14.495 -1.948 1.00 0.00 H new ATOM 650 N ALA A 40 -1.983 -12.394 0.227 1.00 0.00 N ATOM 651 CA ALA A 40 -2.380 -11.267 1.050 1.00 0.00 C ATOM 652 C ALA A 40 -1.368 -10.151 0.905 1.00 0.00 C ATOM 653 O ALA A 40 -0.210 -10.286 1.308 1.00 0.00 O ATOM 654 CB ALA A 40 -2.520 -11.672 2.509 1.00 0.00 C ATOM 0 H ALA A 40 -1.259 -12.983 0.638 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.355 -10.917 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.818 -10.806 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.277 -12.451 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.565 -12.050 2.875 1.00 0.00 H new ATOM 660 N TYR A 41 -1.798 -9.061 0.310 1.00 0.00 N ATOM 661 CA TYR A 41 -0.920 -7.938 0.070 1.00 0.00 C ATOM 662 C TYR A 41 -1.079 -6.908 1.172 1.00 0.00 C ATOM 663 O TYR A 41 -2.056 -6.928 1.916 1.00 0.00 O ATOM 664 CB TYR A 41 -1.218 -7.313 -1.297 1.00 0.00 C ATOM 665 CG TYR A 41 -1.114 -8.291 -2.445 1.00 0.00 C ATOM 666 CD1 TYR A 41 0.088 -8.492 -3.106 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.220 -9.024 -2.857 1.00 0.00 C ATOM 668 CE1 TYR A 41 0.186 -9.395 -4.147 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.129 -9.928 -3.897 1.00 0.00 C ATOM 670 CZ TYR A 41 -0.923 -10.109 -4.538 1.00 0.00 C ATOM 671 OH TYR A 41 -0.827 -11.010 -5.572 1.00 0.00 O ATOM 0 H TYR A 41 -2.755 -8.928 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 41 0.111 -8.291 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.222 -6.889 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.526 -6.489 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.961 -7.934 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.166 -8.885 -2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.130 -9.540 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.998 -10.490 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.699 -11.431 -5.721 1.00 0.00 H new ATOM 681 N CYS A 42 -0.107 -6.031 1.290 1.00 0.00 N ATOM 682 CA CYS A 42 -0.173 -4.947 2.242 1.00 0.00 C ATOM 683 C CYS A 42 0.185 -3.641 1.560 1.00 0.00 C ATOM 684 O CYS A 42 1.289 -3.485 1.034 1.00 0.00 O ATOM 685 CB CYS A 42 0.759 -5.204 3.430 1.00 0.00 C ATOM 686 SG CYS A 42 0.260 -6.594 4.474 1.00 0.00 S ATOM 0 H CYS A 42 0.746 -6.049 0.732 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.192 -4.882 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.766 -5.389 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.807 -4.303 4.042 1.00 0.00 H new ATOM 0 HG CYS A 42 1.110 -6.732 5.448 1.00 0.00 H new ATOM 692 N LEU A 43 -0.764 -2.723 1.534 1.00 0.00 N ATOM 693 CA LEU A 43 -0.524 -1.402 0.998 1.00 0.00 C ATOM 694 C LEU A 43 0.138 -0.575 2.088 1.00 0.00 C ATOM 695 O LEU A 43 -0.531 0.102 2.868 1.00 0.00 O ATOM 696 CB LEU A 43 -1.847 -0.764 0.535 1.00 0.00 C ATOM 697 CG LEU A 43 -1.744 0.411 -0.458 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.107 1.633 0.181 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.969 0.006 -1.705 1.00 0.00 C ATOM 0 H LEU A 43 -1.712 -2.872 1.880 1.00 0.00 H new ATOM 0 HA LEU A 43 0.129 -1.451 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.457 -1.543 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.383 -0.416 1.418 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.761 0.675 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.052 2.439 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.709 1.955 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.102 1.383 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.911 0.853 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.038 -0.302 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.478 -0.823 -2.197 1.00 0.00 H new ATOM 711 N SER A 44 1.451 -0.686 2.170 1.00 0.00 N ATOM 712 CA SER A 44 2.214 0.030 3.170 1.00 0.00 C ATOM 713 C SER A 44 2.308 1.504 2.794 1.00 0.00 C ATOM 714 O SER A 44 2.936 1.865 1.799 1.00 0.00 O ATOM 715 CB SER A 44 3.607 -0.588 3.293 1.00 0.00 C ATOM 716 OG SER A 44 3.524 -1.987 3.530 1.00 0.00 O ATOM 0 H SER A 44 2.013 -1.270 1.550 1.00 0.00 H new ATOM 0 HA SER A 44 1.712 -0.047 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.173 -0.403 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.151 -0.109 4.107 1.00 0.00 H new ATOM 0 HG SER A 44 3.407 -2.150 4.489 1.00 0.00 H new ATOM 722 N VAL A 45 1.659 2.349 3.573 1.00 0.00 N ATOM 723 CA VAL A 45 1.652 3.772 3.294 1.00 0.00 C ATOM 724 C VAL A 45 2.515 4.526 4.305 1.00 0.00 C ATOM 725 O VAL A 45 2.500 4.226 5.504 1.00 0.00 O ATOM 726 CB VAL A 45 0.207 4.334 3.282 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.451 4.210 4.652 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.186 5.776 2.790 1.00 0.00 C ATOM 0 H VAL A 45 1.131 2.075 4.402 1.00 0.00 H new ATOM 0 HA VAL A 45 2.077 3.919 2.301 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.375 3.733 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.463 4.613 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.491 3.160 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.130 4.768 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.839 6.146 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.796 6.394 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.587 5.821 1.777 1.00 0.00 H new ATOM 738 N SER A 46 3.300 5.470 3.806 1.00 0.00 N ATOM 739 CA SER A 46 4.128 6.313 4.650 1.00 0.00 C ATOM 740 C SER A 46 3.291 7.440 5.235 1.00 0.00 C ATOM 741 O SER A 46 2.889 8.367 4.526 1.00 0.00 O ATOM 742 CB SER A 46 5.291 6.895 3.845 1.00 0.00 C ATOM 743 OG SER A 46 5.994 5.878 3.154 1.00 0.00 O ATOM 0 H SER A 46 3.379 5.671 2.809 1.00 0.00 H new ATOM 0 HA SER A 46 4.532 5.706 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.913 7.628 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.972 7.422 4.513 1.00 0.00 H new ATOM 0 HG SER A 46 6.924 5.856 3.462 1.00 0.00 H new ATOM 749 N ASP A 47 3.013 7.342 6.522 1.00 0.00 N ATOM 750 CA ASP A 47 2.235 8.354 7.209 1.00 0.00 C ATOM 751 C ASP A 47 3.153 9.241 8.029 1.00 0.00 C ATOM 752 O ASP A 47 4.180 8.785 8.527 1.00 0.00 O ATOM 753 CB ASP A 47 1.185 7.702 8.107 1.00 0.00 C ATOM 754 CG ASP A 47 0.379 8.718 8.891 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.041 9.781 8.326 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.069 8.452 10.067 1.00 0.00 O ATOM 0 H ASP A 47 3.316 6.568 7.114 1.00 0.00 H new ATOM 0 HA ASP A 47 1.720 8.966 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.511 7.102 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.678 7.021 8.801 1.00 0.00 H new ATOM 761 N PHE A 48 2.785 10.501 8.163 1.00 0.00 N ATOM 762 CA PHE A 48 3.586 11.444 8.914 1.00 0.00 C ATOM 763 C PHE A 48 2.715 12.251 9.853 1.00 0.00 C ATOM 764 O PHE A 48 1.868 13.039 9.426 1.00 0.00 O ATOM 765 CB PHE A 48 4.358 12.371 7.973 1.00 0.00 C ATOM 766 CG PHE A 48 5.129 13.455 8.679 1.00 0.00 C ATOM 767 CD1 PHE A 48 6.324 13.168 9.319 1.00 0.00 C ATOM 768 CD2 PHE A 48 4.661 14.760 8.701 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.035 14.159 9.968 1.00 0.00 C ATOM 770 CE2 PHE A 48 5.368 15.755 9.348 1.00 0.00 C ATOM 771 CZ PHE A 48 6.556 15.454 9.982 1.00 0.00 C ATOM 0 H PHE A 48 1.934 10.894 7.760 1.00 0.00 H new ATOM 0 HA PHE A 48 4.307 10.881 9.507 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.050 11.774 7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.657 12.832 7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.704 12.157 9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.732 15.002 8.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.964 13.921 10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.991 16.767 9.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.110 16.230 10.488 1.00 0.00 H new ATOM 781 N ASP A 49 2.929 12.038 11.134 1.00 0.00 N ATOM 782 CA ASP A 49 2.242 12.794 12.163 1.00 0.00 C ATOM 783 C ASP A 49 3.139 13.929 12.611 1.00 0.00 C ATOM 784 O ASP A 49 4.347 13.741 12.764 1.00 0.00 O ATOM 785 CB ASP A 49 1.886 11.916 13.367 1.00 0.00 C ATOM 786 CG ASP A 49 0.825 10.875 13.058 1.00 0.00 C ATOM 787 OD1 ASP A 49 -0.345 11.256 12.838 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.147 9.671 13.074 1.00 0.00 O ATOM 0 H ASP A 49 3.581 11.340 11.492 1.00 0.00 H new ATOM 0 HA ASP A 49 1.311 13.179 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.786 11.413 13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.536 12.551 14.180 1.00 0.00 H new ATOM 793 N ASN A 50 2.559 15.095 12.832 1.00 0.00 N ATOM 794 CA ASN A 50 3.331 16.268 13.225 1.00 0.00 C ATOM 795 C ASN A 50 3.617 16.235 14.721 1.00 0.00 C ATOM 796 O ASN A 50 3.391 17.214 15.434 1.00 0.00 O ATOM 797 CB ASN A 50 2.588 17.556 12.852 1.00 0.00 C ATOM 798 CG ASN A 50 2.313 17.661 11.364 1.00 0.00 C ATOM 799 OD1 ASN A 50 3.133 18.173 10.600 1.00 0.00 O ATOM 800 ND2 ASN A 50 1.159 17.173 10.941 1.00 0.00 N ATOM 0 H ASN A 50 1.556 15.259 12.747 1.00 0.00 H new ATOM 0 HA ASN A 50 4.279 16.252 12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.644 17.597 13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.177 18.416 13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.921 17.213 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.507 16.757 11.606 1.00 0.00 H new ATOM 807 N ALA A 51 4.118 15.094 15.177 1.00 0.00 N ATOM 808 CA ALA A 51 4.416 14.868 16.581 1.00 0.00 C ATOM 809 C ALA A 51 5.173 13.556 16.763 1.00 0.00 C ATOM 810 O ALA A 51 6.128 13.478 17.539 1.00 0.00 O ATOM 811 CB ALA A 51 3.130 14.838 17.385 1.00 0.00 C ATOM 0 H ALA A 51 4.329 14.296 14.578 1.00 0.00 H new ATOM 0 HA ALA A 51 5.044 15.684 16.938 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.362 14.668 18.436 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.611 15.791 17.277 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.491 14.034 17.020 1.00 0.00 H new ATOM 817 N LYS A 52 4.744 12.525 16.040 1.00 0.00 N ATOM 818 CA LYS A 52 5.326 11.193 16.188 1.00 0.00 C ATOM 819 C LYS A 52 6.239 10.845 15.019 1.00 0.00 C ATOM 820 O LYS A 52 6.734 9.722 14.924 1.00 0.00 O ATOM 821 CB LYS A 52 4.219 10.139 16.302 1.00 0.00 C ATOM 822 CG LYS A 52 3.287 10.356 17.483 1.00 0.00 C ATOM 823 CD LYS A 52 2.217 9.271 17.583 1.00 0.00 C ATOM 824 CE LYS A 52 1.268 9.288 16.393 1.00 0.00 C ATOM 825 NZ LYS A 52 1.696 8.370 15.302 1.00 0.00 N ATOM 0 H LYS A 52 3.998 12.585 15.347 1.00 0.00 H new ATOM 0 HA LYS A 52 5.924 11.198 17.099 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.633 10.140 15.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.676 9.153 16.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.869 10.375 18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.806 11.330 17.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.697 8.295 17.649 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.647 9.409 18.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.269 9.008 16.727 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.201 10.303 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.791 8.905 14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.611 7.942 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.985 7.621 15.180 1.00 0.00 H new ATOM 839 N GLY A 53 6.465 11.803 14.134 1.00 0.00 N ATOM 840 CA GLY A 53 7.282 11.545 12.967 1.00 0.00 C ATOM 841 C GLY A 53 6.565 10.683 11.947 1.00 0.00 C ATOM 842 O GLY A 53 5.342 10.769 11.804 1.00 0.00 O ATOM 0 H GLY A 53 6.098 12.752 14.202 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.564 12.492 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.205 11.052 13.273 1.00 0.00 H new ATOM 846 N LEU A 54 7.319 9.850 11.245 1.00 0.00 N ATOM 847 CA LEU A 54 6.751 8.994 10.216 1.00 0.00 C ATOM 848 C LEU A 54 6.460 7.606 10.765 1.00 0.00 C ATOM 849 O LEU A 54 7.170 7.106 11.637 1.00 0.00 O ATOM 850 CB LEU A 54 7.687 8.885 9.007 1.00 0.00 C ATOM 851 CG LEU A 54 8.017 10.206 8.312 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.238 10.869 8.940 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.221 9.981 6.822 1.00 0.00 C ATOM 0 H LEU A 54 8.326 9.749 11.370 1.00 0.00 H new ATOM 0 HA LEU A 54 5.815 9.450 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.619 8.422 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.234 8.213 8.278 1.00 0.00 H new ATOM 0 HG LEU A 54 7.173 10.883 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.448 11.806 8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.042 11.070 9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.098 10.205 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.455 10.930 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.044 9.283 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.310 9.569 6.388 1.00 0.00 H new ATOM 865 N ASN A 55 5.410 6.994 10.247 1.00 0.00 N ATOM 866 CA ASN A 55 5.028 5.647 10.636 1.00 0.00 C ATOM 867 C ASN A 55 4.490 4.903 9.421 1.00 0.00 C ATOM 868 O ASN A 55 4.011 5.520 8.469 1.00 0.00 O ATOM 869 CB ASN A 55 3.976 5.670 11.753 1.00 0.00 C ATOM 870 CG ASN A 55 2.638 6.226 11.298 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.762 5.481 10.854 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.469 7.535 11.413 1.00 0.00 N ATOM 0 H ASN A 55 4.799 7.415 9.547 1.00 0.00 H new ATOM 0 HA ASN A 55 5.909 5.132 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.833 4.657 12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.349 6.270 12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.588 7.962 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.220 8.115 11.786 1.00 0.00 H new ATOM 879 N VAL A 56 4.585 3.585 9.445 1.00 0.00 N ATOM 880 CA VAL A 56 4.120 2.778 8.329 1.00 0.00 C ATOM 881 C VAL A 56 2.848 2.031 8.688 1.00 0.00 C ATOM 882 O VAL A 56 2.823 1.238 9.630 1.00 0.00 O ATOM 883 CB VAL A 56 5.185 1.760 7.870 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.652 0.886 6.742 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.448 2.479 7.433 1.00 0.00 C ATOM 0 H VAL A 56 4.978 3.052 10.221 1.00 0.00 H new ATOM 0 HA VAL A 56 3.920 3.469 7.510 1.00 0.00 H new ATOM 0 HB VAL A 56 5.425 1.114 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.421 0.177 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.773 0.341 7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.379 1.513 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.190 1.748 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.217 3.149 6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.845 3.057 8.268 1.00 0.00 H new ATOM 895 N LYS A 57 1.792 2.300 7.941 1.00 0.00 N ATOM 896 CA LYS A 57 0.537 1.592 8.110 1.00 0.00 C ATOM 897 C LYS A 57 0.387 0.546 7.015 1.00 0.00 C ATOM 898 O LYS A 57 0.296 0.880 5.833 1.00 0.00 O ATOM 899 CB LYS A 57 -0.640 2.571 8.084 1.00 0.00 C ATOM 900 CG LYS A 57 -0.683 3.508 9.281 1.00 0.00 C ATOM 901 CD LYS A 57 -1.821 4.509 9.158 1.00 0.00 C ATOM 902 CE LYS A 57 -2.036 5.282 10.454 1.00 0.00 C ATOM 903 NZ LYS A 57 -0.863 6.119 10.823 1.00 0.00 N ATOM 0 H LYS A 57 1.780 3.008 7.207 1.00 0.00 H new ATOM 0 HA LYS A 57 0.540 1.092 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.587 3.164 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.571 2.005 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.804 2.928 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.265 4.040 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.605 5.207 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.739 3.985 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.914 5.919 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.245 4.580 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.973 6.460 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.005 5.551 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.800 6.932 10.177 1.00 0.00 H new ATOM 917 N HIS A 58 0.391 -0.718 7.410 1.00 0.00 N ATOM 918 CA HIS A 58 0.266 -1.815 6.462 1.00 0.00 C ATOM 919 C HIS A 58 -1.202 -2.164 6.258 1.00 0.00 C ATOM 920 O HIS A 58 -1.737 -3.044 6.937 1.00 0.00 O ATOM 921 CB HIS A 58 1.022 -3.063 6.951 1.00 0.00 C ATOM 922 CG HIS A 58 2.509 -2.890 7.090 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.377 -3.268 6.092 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.225 -2.410 8.137 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.591 -3.013 6.552 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.549 -2.494 7.785 1.00 0.00 N ATOM 0 H HIS A 58 0.480 -1.010 8.383 1.00 0.00 H new ATOM 0 HA HIS A 58 0.704 -1.491 5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.614 -3.361 7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.830 -3.881 6.257 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.829 -2.034 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.501 -3.200 6.002 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.348 -2.214 8.354 1.00 0.00 H new ATOM 934 N TYR A 59 -1.859 -1.467 5.342 1.00 0.00 N ATOM 935 CA TYR A 59 -3.260 -1.735 5.046 1.00 0.00 C ATOM 936 C TYR A 59 -3.419 -3.085 4.356 1.00 0.00 C ATOM 937 O TYR A 59 -2.738 -3.375 3.372 1.00 0.00 O ATOM 938 CB TYR A 59 -3.850 -0.616 4.191 1.00 0.00 C ATOM 939 CG TYR A 59 -4.200 0.621 4.987 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.426 0.722 5.629 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.314 1.685 5.095 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.761 1.846 6.358 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.642 2.815 5.823 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.868 2.889 6.451 1.00 0.00 C ATOM 945 OH TYR A 59 -5.201 4.011 7.177 1.00 0.00 O ATOM 0 H TYR A 59 -1.446 -0.714 4.792 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.808 -1.771 5.988 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.137 -0.349 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.746 -0.984 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.131 -0.093 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.354 1.630 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.719 1.906 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.942 3.634 5.899 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.462 4.653 7.144 1.00 0.00 H new ATOM 955 N LYS A 60 -4.322 -3.902 4.883 1.00 0.00 N ATOM 956 CA LYS A 60 -4.475 -5.280 4.433 1.00 0.00 C ATOM 957 C LYS A 60 -5.178 -5.352 3.082 1.00 0.00 C ATOM 958 O LYS A 60 -6.298 -4.870 2.925 1.00 0.00 O ATOM 959 CB LYS A 60 -5.274 -6.095 5.460 1.00 0.00 C ATOM 960 CG LYS A 60 -4.845 -5.876 6.903 1.00 0.00 C ATOM 961 CD LYS A 60 -3.378 -6.207 7.129 1.00 0.00 C ATOM 962 CE LYS A 60 -2.946 -5.841 8.540 1.00 0.00 C ATOM 963 NZ LYS A 60 -3.139 -4.392 8.819 1.00 0.00 N ATOM 0 H LYS A 60 -4.964 -3.632 5.628 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.474 -5.699 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.330 -5.842 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.177 -7.154 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.027 -4.837 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.459 -6.493 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.211 -7.271 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.765 -5.669 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.517 -6.429 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.896 -6.101 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.610 -4.130 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.791 -3.834 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.150 -4.198 8.964 1.00 0.00 H new ATOM 977 N ILE A 61 -4.511 -5.959 2.114 1.00 0.00 N ATOM 978 CA ILE A 61 -5.093 -6.207 0.807 1.00 0.00 C ATOM 979 C ILE A 61 -5.396 -7.693 0.674 1.00 0.00 C ATOM 980 O ILE A 61 -4.568 -8.478 0.201 1.00 0.00 O ATOM 981 CB ILE A 61 -4.151 -5.754 -0.333 1.00 0.00 C ATOM 982 CG1 ILE A 61 -3.826 -4.265 -0.196 1.00 0.00 C ATOM 983 CG2 ILE A 61 -4.767 -6.044 -1.696 1.00 0.00 C ATOM 984 CD1 ILE A 61 -2.908 -3.736 -1.278 1.00 0.00 C ATOM 0 H ILE A 61 -3.552 -6.293 2.213 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.012 -5.627 0.721 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.224 -6.321 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.756 -3.697 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.364 -4.092 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.085 -5.716 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.945 -7.115 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.712 -5.509 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.724 -2.674 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.962 -4.277 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.376 -3.876 -2.253 1.00 0.00 H new ATOM 996 N ARG A 62 -6.571 -8.079 1.124 1.00 0.00 N ATOM 997 CA ARG A 62 -6.956 -9.478 1.139 1.00 0.00 C ATOM 998 C ARG A 62 -8.054 -9.739 0.120 1.00 0.00 C ATOM 999 O ARG A 62 -8.694 -8.805 -0.361 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.408 -9.891 2.544 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.503 -9.011 3.129 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.936 -9.507 4.501 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.390 -10.896 4.454 1.00 0.00 N ATOM 1004 CZ ARG A 62 -10.167 -11.470 5.371 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.599 -10.786 6.426 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -10.513 -12.739 5.219 1.00 0.00 N ATOM 0 H ARG A 62 -7.280 -7.442 1.486 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.090 -10.081 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.763 -10.921 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.546 -9.872 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.145 -7.985 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.361 -8.999 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.104 -9.419 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.738 -8.874 4.880 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.090 -11.466 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.336 -9.807 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.193 -11.240 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.185 -13.263 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.108 -13.192 5.913 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.254 -11.006 -0.214 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.248 -11.389 -1.205 1.00 0.00 C ATOM 1022 C LYS A 63 -10.532 -11.869 -0.556 1.00 0.00 C ATOM 1023 O LYS A 63 -10.527 -12.410 0.547 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.712 -12.493 -2.113 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.632 -12.024 -3.068 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.180 -13.143 -3.995 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.621 -14.322 -3.216 1.00 0.00 C ATOM 1028 NZ LYS A 63 -5.403 -13.954 -2.451 1.00 0.00 N ATOM 0 H LYS A 63 -7.739 -11.789 0.189 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.463 -10.498 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.314 -13.298 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.538 -12.911 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.007 -11.189 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.778 -11.654 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.021 -13.474 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.420 -12.765 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.381 -14.697 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.385 -15.133 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.967 -14.813 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.726 -13.480 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.661 -13.311 -1.675 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.625 -11.650 -1.263 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.923 -12.182 -0.878 1.00 0.00 C ATOM 1044 C LEU A 64 -13.188 -13.487 -1.611 1.00 0.00 C ATOM 1045 O LEU A 64 -12.380 -13.910 -2.441 1.00 0.00 O ATOM 1046 CB LEU A 64 -14.036 -11.186 -1.216 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.109 -9.952 -0.327 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.018 -8.910 -0.955 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.613 -10.331 1.056 1.00 0.00 C ATOM 0 H LEU A 64 -11.640 -11.098 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.913 -12.357 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.906 -10.861 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.992 -11.706 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.109 -9.529 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.063 -8.031 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.625 -8.625 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.019 -9.325 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.661 -9.440 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.607 -10.770 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.933 -11.055 1.505 1.00 0.00 H new ATOM 1061 N ASP A 65 -14.317 -14.112 -1.306 1.00 0.00 N ATOM 1062 CA ASP A 65 -14.748 -15.317 -2.007 1.00 0.00 C ATOM 1063 C ASP A 65 -14.723 -15.106 -3.518 1.00 0.00 C ATOM 1064 O ASP A 65 -14.031 -15.822 -4.242 1.00 0.00 O ATOM 1065 CB ASP A 65 -16.161 -15.708 -1.565 1.00 0.00 C ATOM 1066 CG ASP A 65 -16.760 -16.800 -2.429 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -16.480 -17.989 -2.173 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -17.524 -16.473 -3.365 1.00 0.00 O ATOM 0 H ASP A 65 -14.956 -13.803 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.055 -16.120 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.134 -16.044 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.805 -14.829 -1.599 1.00 0.00 H new ATOM 1073 N SER A 66 -15.465 -14.115 -3.985 1.00 0.00 N ATOM 1074 CA SER A 66 -15.524 -13.818 -5.408 1.00 0.00 C ATOM 1075 C SER A 66 -15.583 -12.314 -5.665 1.00 0.00 C ATOM 1076 O SER A 66 -15.894 -11.870 -6.772 1.00 0.00 O ATOM 1077 CB SER A 66 -16.731 -14.522 -6.023 1.00 0.00 C ATOM 1078 OG SER A 66 -17.848 -14.474 -5.148 1.00 0.00 O ATOM 0 H SER A 66 -16.034 -13.503 -3.401 1.00 0.00 H new ATOM 0 HA SER A 66 -14.613 -14.187 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.987 -14.050 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.479 -15.560 -6.241 1.00 0.00 H new ATOM 0 HG SER A 66 -17.796 -15.217 -4.511 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.277 -11.532 -4.639 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.269 -10.088 -4.780 1.00 0.00 C ATOM 1086 C GLY A 67 -13.955 -9.570 -5.328 1.00 0.00 C ATOM 1087 O GLY A 67 -13.921 -8.583 -6.064 1.00 0.00 O ATOM 0 H GLY A 67 -15.033 -11.872 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.080 -9.786 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.461 -9.630 -3.810 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.871 -10.245 -4.981 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.559 -9.815 -5.414 1.00 0.00 C ATOM 1093 C GLY A 68 -10.735 -9.281 -4.265 1.00 0.00 C ATOM 1094 O GLY A 68 -10.849 -9.767 -3.142 1.00 0.00 O ATOM 0 H GLY A 68 -12.877 -11.087 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.037 -10.652 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.663 -9.043 -6.176 1.00 0.00 H new ATOM 1098 N PHE A 69 -9.929 -8.272 -4.543 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.072 -7.663 -3.537 1.00 0.00 C ATOM 1100 C PHE A 69 -9.774 -6.462 -2.918 1.00 0.00 C ATOM 1101 O PHE A 69 -10.486 -5.724 -3.607 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.748 -7.202 -4.155 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.029 -8.259 -4.949 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.274 -8.406 -6.305 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.106 -9.096 -4.343 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.612 -9.370 -7.043 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -5.441 -10.061 -5.076 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.695 -10.198 -6.430 1.00 0.00 C ATOM 0 H PHE A 69 -9.849 -7.852 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.865 -8.410 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.942 -6.348 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.091 -6.854 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.990 -7.760 -6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.904 -8.993 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.813 -9.474 -8.099 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.724 -10.708 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.177 -10.951 -7.005 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.577 -6.264 -1.624 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.152 -5.119 -0.941 1.00 0.00 C ATOM 1120 C TYR A 70 -9.334 -4.761 0.296 1.00 0.00 C ATOM 1121 O TYR A 70 -8.844 -5.641 1.009 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.614 -5.403 -0.547 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.773 -6.388 0.591 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.507 -7.739 0.414 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.186 -5.960 1.846 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.646 -8.636 1.455 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.332 -6.849 2.891 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.060 -8.186 2.690 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.200 -9.076 3.731 1.00 0.00 O ATOM 0 H TYR A 70 -9.025 -6.880 -1.028 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.133 -4.271 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.092 -4.464 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.145 -5.784 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.186 -8.095 -0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.397 -4.913 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.432 -9.683 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.657 -6.500 3.860 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.498 -8.598 4.533 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.160 -3.466 0.511 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.553 -2.966 1.738 1.00 0.00 C ATOM 1141 C ILE A 71 -9.664 -2.560 2.696 1.00 0.00 C ATOM 1142 O ILE A 71 -9.511 -2.573 3.918 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.635 -1.754 1.462 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.551 -2.129 0.448 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.005 -1.255 2.756 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.626 -0.987 0.090 1.00 0.00 C ATOM 0 H ILE A 71 -9.431 -2.738 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.938 -3.754 2.173 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.240 -0.950 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.959 -2.951 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.028 -2.496 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.362 -0.401 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.790 -0.953 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.412 -2.053 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.886 -1.331 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.205 -0.172 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.119 -0.634 0.988 1.00 0.00 H new ATOM 1158 N THR A 72 -10.790 -2.218 2.100 1.00 0.00 N ATOM 1159 CA THR A 72 -11.985 -1.833 2.817 1.00 0.00 C ATOM 1160 C THR A 72 -13.183 -2.512 2.168 1.00 0.00 C ATOM 1161 O THR A 72 -13.219 -2.687 0.949 1.00 0.00 O ATOM 1162 CB THR A 72 -12.155 -0.296 2.808 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.471 0.082 3.238 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.883 0.265 1.425 1.00 0.00 C ATOM 0 H THR A 72 -10.899 -2.200 1.086 1.00 0.00 H new ATOM 0 HA THR A 72 -11.906 -2.149 3.857 1.00 0.00 H new ATOM 0 HB THR A 72 -11.430 0.120 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.849 0.727 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.008 1.348 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.863 0.022 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.582 -0.171 0.712 1.00 0.00 H new ATOM 1172 N SER A 73 -14.149 -2.906 2.982 1.00 0.00 N ATOM 1173 CA SER A 73 -15.253 -3.744 2.523 1.00 0.00 C ATOM 1174 C SER A 73 -16.190 -3.004 1.568 1.00 0.00 C ATOM 1175 O SER A 73 -16.981 -3.632 0.862 1.00 0.00 O ATOM 1176 CB SER A 73 -16.032 -4.270 3.725 1.00 0.00 C ATOM 1177 OG SER A 73 -15.180 -4.989 4.601 1.00 0.00 O ATOM 0 H SER A 73 -14.194 -2.659 3.971 1.00 0.00 H new ATOM 0 HA SER A 73 -14.824 -4.577 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.491 -3.438 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.841 -4.917 3.385 1.00 0.00 H new ATOM 0 HG SER A 73 -15.698 -5.316 5.366 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.095 -1.683 1.533 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.973 -0.884 0.690 1.00 0.00 C ATOM 1185 C ARG A 74 -16.617 -1.057 -0.784 1.00 0.00 C ATOM 1186 O ARG A 74 -17.446 -1.482 -1.593 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.876 0.594 1.059 1.00 0.00 C ATOM 1188 CG ARG A 74 -17.175 0.893 2.516 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.034 2.377 2.803 1.00 0.00 C ATOM 1190 NE ARG A 74 -17.172 2.687 4.223 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.177 3.147 4.978 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -14.953 3.256 4.475 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -16.396 3.489 6.240 1.00 0.00 N ATOM 0 H ARG A 74 -15.421 -1.143 2.076 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.993 -1.231 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.873 0.950 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.568 1.159 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.186 0.566 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.495 0.329 3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.061 2.721 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.788 2.926 2.239 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.082 2.543 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.773 2.987 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.192 3.609 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.331 3.400 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.629 3.841 6.813 1.00 0.00 H new ATOM 1207 N THR A 75 -15.378 -0.730 -1.122 1.00 0.00 N ATOM 1208 CA THR A 75 -14.929 -0.749 -2.504 1.00 0.00 C ATOM 1209 C THR A 75 -14.086 -1.992 -2.797 1.00 0.00 C ATOM 1210 O THR A 75 -13.080 -2.245 -2.135 1.00 0.00 O ATOM 1211 CB THR A 75 -14.126 0.524 -2.821 1.00 0.00 C ATOM 1212 OG1 THR A 75 -14.876 1.682 -2.421 1.00 0.00 O ATOM 1213 CG2 THR A 75 -13.823 0.616 -4.306 1.00 0.00 C ATOM 0 H THR A 75 -14.663 -0.447 -0.452 1.00 0.00 H new ATOM 0 HA THR A 75 -15.811 -0.782 -3.143 1.00 0.00 H new ATOM 0 HB THR A 75 -13.186 0.480 -2.272 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.560 1.990 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.255 1.524 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.240 -0.252 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.757 0.642 -4.867 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.501 -2.759 -3.800 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.871 -4.039 -4.107 1.00 0.00 C ATOM 1223 C GLN A 76 -13.412 -4.083 -5.563 1.00 0.00 C ATOM 1224 O GLN A 76 -14.138 -3.645 -6.459 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.866 -5.171 -3.850 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.594 -5.049 -2.519 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.727 -6.047 -2.372 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.329 -6.475 -3.357 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -17.041 -6.405 -1.138 1.00 0.00 N ATOM 0 H GLN A 76 -15.275 -2.515 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.998 -4.159 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.600 -5.189 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.336 -6.123 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.882 -5.193 -1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.991 -4.039 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.517 -6.027 -0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.807 -7.059 -0.976 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.214 -4.609 -5.798 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.681 -4.736 -7.152 1.00 0.00 C ATOM 1240 C PHE A 77 -11.006 -6.086 -7.342 1.00 0.00 C ATOM 1241 O PHE A 77 -10.235 -6.524 -6.496 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.667 -3.631 -7.454 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.257 -2.256 -7.518 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.112 -1.903 -8.548 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -10.952 -1.314 -6.551 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.654 -0.635 -8.614 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.489 -0.046 -6.612 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.341 0.295 -7.645 1.00 0.00 C ATOM 0 H PHE A 77 -11.592 -4.955 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.523 -4.647 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.892 -3.646 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.181 -3.850 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.358 -2.628 -9.309 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.287 -1.575 -5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.321 -0.372 -9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.244 0.681 -5.852 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.761 1.289 -7.693 1.00 0.00 H new ATOM 1258 N SER A 78 -11.269 -6.730 -8.465 1.00 0.00 N ATOM 1259 CA SER A 78 -10.654 -8.015 -8.761 1.00 0.00 C ATOM 1260 C SER A 78 -9.315 -7.822 -9.475 1.00 0.00 C ATOM 1261 O SER A 78 -8.757 -8.758 -10.044 1.00 0.00 O ATOM 1262 CB SER A 78 -11.598 -8.869 -9.610 1.00 0.00 C ATOM 1263 OG SER A 78 -12.866 -9.009 -8.984 1.00 0.00 O ATOM 0 H SER A 78 -11.903 -6.387 -9.187 1.00 0.00 H new ATOM 0 HA SER A 78 -10.465 -8.533 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.722 -8.412 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.158 -9.853 -9.770 1.00 0.00 H new ATOM 0 HG SER A 78 -12.789 -8.779 -8.035 1.00 0.00 H new ATOM 1269 N SER A 79 -8.806 -6.597 -9.443 1.00 0.00 N ATOM 1270 CA SER A 79 -7.526 -6.277 -10.053 1.00 0.00 C ATOM 1271 C SER A 79 -6.792 -5.247 -9.202 1.00 0.00 C ATOM 1272 O SER A 79 -7.372 -4.239 -8.795 1.00 0.00 O ATOM 1273 CB SER A 79 -7.738 -5.736 -11.468 1.00 0.00 C ATOM 1274 OG SER A 79 -8.479 -6.649 -12.260 1.00 0.00 O ATOM 0 H SER A 79 -9.266 -5.804 -8.996 1.00 0.00 H new ATOM 0 HA SER A 79 -6.924 -7.184 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.263 -4.782 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.772 -5.545 -11.936 1.00 0.00 H new ATOM 0 HG SER A 79 -8.601 -6.278 -13.159 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.518 -5.514 -8.933 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.695 -4.624 -8.117 1.00 0.00 C ATOM 1282 C LEU A 80 -4.457 -3.296 -8.825 1.00 0.00 C ATOM 1283 O LEU A 80 -4.199 -2.281 -8.182 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.352 -5.282 -7.790 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.421 -6.491 -6.855 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.039 -7.097 -6.660 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.020 -6.093 -5.515 1.00 0.00 C ATOM 0 H LEU A 80 -5.030 -6.344 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.234 -4.432 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.883 -5.593 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.700 -4.533 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.064 -7.243 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.109 -7.955 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.643 -7.418 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.373 -6.352 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.062 -6.965 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.401 -5.323 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.027 -5.705 -5.667 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.531 -3.316 -10.153 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.397 -2.099 -10.946 1.00 0.00 C ATOM 1301 C GLN A 81 -5.542 -1.146 -10.618 1.00 0.00 C ATOM 1302 O GLN A 81 -5.326 0.032 -10.331 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.386 -2.454 -12.439 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.626 -1.473 -13.328 1.00 0.00 C ATOM 1305 CD GLN A 81 -4.416 -0.225 -13.684 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -5.147 -0.207 -14.671 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -4.250 0.836 -12.907 1.00 0.00 N ATOM 0 H GLN A 81 -4.683 -4.162 -10.702 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.457 -1.603 -10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.947 -3.445 -12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.416 -2.517 -12.790 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.707 -1.177 -12.823 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.335 -1.981 -14.247 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.634 0.783 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.738 1.706 -13.121 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.756 -1.686 -10.619 1.00 0.00 N ATOM 1317 CA GLN A 82 -7.951 -0.915 -10.288 1.00 0.00 C ATOM 1318 C GLN A 82 -7.907 -0.458 -8.831 1.00 0.00 C ATOM 1319 O GLN A 82 -8.406 0.613 -8.492 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.204 -1.760 -10.524 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.376 -2.221 -11.961 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.558 -1.065 -12.921 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.592 -0.535 -13.465 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.800 -0.665 -13.130 1.00 0.00 N ATOM 0 H GLN A 82 -6.940 -2.663 -10.847 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.983 -0.036 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.168 -2.635 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.080 -1.182 -10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.504 -2.804 -12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.239 -2.883 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.573 -1.134 -12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.986 0.112 -13.764 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.301 -1.287 -7.985 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.171 -1.003 -6.558 1.00 0.00 C ATOM 1335 C LEU A 83 -6.507 0.358 -6.340 1.00 0.00 C ATOM 1336 O LEU A 83 -7.131 1.292 -5.832 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.358 -2.135 -5.895 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.250 -2.125 -4.360 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.251 -1.080 -3.876 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.616 -1.900 -3.729 1.00 0.00 C ATOM 0 H LEU A 83 -6.886 -2.174 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.159 -0.960 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.798 -3.086 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.348 -2.108 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.881 -3.101 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.201 -1.101 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.266 -1.299 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.571 -0.091 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.519 -1.896 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.017 -0.942 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.292 -2.700 -4.030 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.253 0.471 -6.751 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.483 1.691 -6.535 1.00 0.00 C ATOM 1354 C VAL A 84 -5.036 2.867 -7.333 1.00 0.00 C ATOM 1355 O VAL A 84 -5.103 3.990 -6.835 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.000 1.493 -6.892 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.237 0.914 -5.710 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.859 0.586 -8.097 1.00 0.00 C ATOM 0 H VAL A 84 -4.744 -0.268 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.570 1.919 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.577 2.467 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.190 0.781 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.308 1.595 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.666 -0.050 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.803 0.458 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.302 -0.385 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.371 1.032 -8.950 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.429 2.595 -8.569 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.987 3.618 -9.453 1.00 0.00 C ATOM 1370 C ALA A 85 -7.209 4.300 -8.837 1.00 0.00 C ATOM 1371 O ALA A 85 -7.486 5.464 -9.120 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.349 3.009 -10.798 1.00 0.00 C ATOM 0 H ALA A 85 -5.372 1.667 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.222 4.381 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.763 3.780 -11.447 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.456 2.588 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.088 2.221 -10.654 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.935 3.575 -7.998 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.114 4.122 -7.347 1.00 0.00 C ATOM 1380 C TYR A 86 -8.764 4.709 -5.984 1.00 0.00 C ATOM 1381 O TYR A 86 -9.157 5.832 -5.663 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.176 3.034 -7.190 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.485 3.526 -6.616 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -11.707 3.529 -5.244 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.500 3.979 -7.444 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -12.902 3.974 -4.716 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.697 4.425 -6.924 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.895 4.421 -5.560 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.085 4.871 -5.039 1.00 0.00 O ATOM 0 H TYR A 86 -7.727 2.607 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.508 4.923 -7.972 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.366 2.583 -8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.782 2.247 -6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.931 3.177 -4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.351 3.983 -8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.058 3.972 -3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.477 4.776 -7.584 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.976 5.792 -4.723 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.009 3.947 -5.198 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.674 4.329 -3.825 1.00 0.00 C ATOM 1401 C TYR A 87 -6.732 5.533 -3.778 1.00 0.00 C ATOM 1402 O TYR A 87 -6.468 6.087 -2.710 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.056 3.144 -3.081 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.057 2.092 -2.634 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.132 1.720 -3.436 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -7.923 1.472 -1.399 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.038 0.760 -3.020 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -8.822 0.511 -0.979 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.878 0.158 -1.789 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.770 -0.800 -1.364 1.00 0.00 O ATOM 0 H TYR A 87 -7.613 3.053 -5.490 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.601 4.620 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.315 2.672 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.525 3.517 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.261 2.189 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.101 1.746 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.866 0.484 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.697 0.037 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.431 -0.967 -2.068 1.00 0.00 H new ATOM 1420 N SER A 88 -6.217 5.931 -4.930 1.00 0.00 N ATOM 1421 CA SER A 88 -5.413 7.135 -5.022 1.00 0.00 C ATOM 1422 C SER A 88 -6.295 8.373 -4.888 1.00 0.00 C ATOM 1423 O SER A 88 -5.892 9.390 -4.318 1.00 0.00 O ATOM 1424 CB SER A 88 -4.652 7.153 -6.348 1.00 0.00 C ATOM 1425 OG SER A 88 -5.490 6.757 -7.422 1.00 0.00 O ATOM 0 H SER A 88 -6.342 5.437 -5.813 1.00 0.00 H new ATOM 0 HA SER A 88 -4.690 7.143 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.264 8.154 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.793 6.485 -6.287 1.00 0.00 H new ATOM 0 HG SER A 88 -5.475 5.781 -7.506 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.516 8.260 -5.390 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.455 9.365 -5.378 1.00 0.00 C ATOM 1433 C LYS A 89 -9.464 9.203 -4.243 1.00 0.00 C ATOM 1434 O LYS A 89 -9.819 10.177 -3.575 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.150 9.459 -6.740 1.00 0.00 C ATOM 1436 CG LYS A 89 -10.214 10.541 -6.833 1.00 0.00 C ATOM 1437 CD LYS A 89 -10.481 10.931 -8.282 1.00 0.00 C ATOM 1438 CE LYS A 89 -10.759 9.716 -9.156 1.00 0.00 C ATOM 1439 NZ LYS A 89 -10.912 10.088 -10.586 1.00 0.00 N ATOM 0 H LYS A 89 -7.879 7.406 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.916 10.296 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.396 9.642 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.608 8.496 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.137 10.187 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.894 11.418 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.332 11.610 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.621 11.473 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.944 9.000 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.666 9.220 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.100 9.234 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.706 10.752 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.037 10.539 -10.923 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.913 7.973 -4.020 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.822 7.671 -2.914 1.00 0.00 C ATOM 1455 C HIS A 90 -10.144 6.743 -1.919 1.00 0.00 C ATOM 1456 O HIS A 90 -9.880 5.584 -2.228 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.114 7.017 -3.415 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.105 7.971 -4.001 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.318 7.568 -4.523 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.067 9.317 -4.140 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.980 8.625 -4.955 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.244 9.697 -4.735 1.00 0.00 N ATOM 0 H HIS A 90 -9.663 7.165 -4.590 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.076 8.613 -2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.860 6.269 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.584 6.488 -2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.261 9.970 -3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.959 8.614 -5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.507 10.654 -4.969 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.867 7.259 -0.732 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.203 6.475 0.298 1.00 0.00 C ATOM 1473 C ALA A 91 -10.156 5.454 0.906 1.00 0.00 C ATOM 1474 O ALA A 91 -9.744 4.356 1.280 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.647 7.385 1.379 1.00 0.00 C ATOM 0 H ALA A 91 -10.091 8.216 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.378 5.936 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.153 6.784 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.927 8.075 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.461 7.950 1.833 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.432 5.839 0.991 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.501 4.978 1.507 1.00 0.00 C ATOM 1483 C ASP A 92 -12.270 4.613 2.975 1.00 0.00 C ATOM 1484 O ASP A 92 -12.840 5.234 3.875 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.637 3.709 0.655 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.894 2.915 0.970 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.041 2.438 2.117 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.736 2.758 0.063 1.00 0.00 O ATOM 0 H ASP A 92 -11.755 6.762 0.702 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.432 5.541 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.643 3.985 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.764 3.076 0.814 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.432 3.615 3.205 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.165 3.154 4.551 1.00 0.00 C ATOM 1495 C GLY A 93 -9.850 3.680 5.082 1.00 0.00 C ATOM 1496 O GLY A 93 -9.707 3.902 6.283 1.00 0.00 O ATOM 0 H GLY A 93 -10.927 3.111 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.974 3.471 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.151 2.064 4.564 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.889 3.867 4.186 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.592 4.410 4.547 1.00 0.00 C ATOM 1502 C LEU A 94 -7.716 5.873 4.949 1.00 0.00 C ATOM 1503 O LEU A 94 -8.617 6.578 4.495 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.614 4.291 3.369 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.359 2.872 2.854 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.453 2.424 1.899 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.996 2.787 2.180 1.00 0.00 C ATOM 0 H LEU A 94 -8.989 3.647 3.195 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.212 3.837 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.994 4.894 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.660 4.725 3.668 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.369 2.199 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.241 1.413 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.414 2.437 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.490 3.100 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.831 1.772 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.962 3.480 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.218 3.048 2.898 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.807 6.325 5.800 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.746 7.732 6.172 1.00 0.00 C ATOM 1521 C CYS A 95 -5.814 8.477 5.226 1.00 0.00 C ATOM 1522 O CYS A 95 -5.419 9.616 5.484 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.256 7.883 7.615 1.00 0.00 C ATOM 1524 SG CYS A 95 -7.324 7.112 8.854 1.00 0.00 S ATOM 0 H CYS A 95 -6.101 5.739 6.246 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.747 8.157 6.098 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.259 7.451 7.694 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.162 8.944 7.844 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.818 7.296 10.037 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.467 7.819 4.127 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.514 8.360 3.172 1.00 0.00 C ATOM 1532 C HIS A 96 -4.955 8.065 1.750 1.00 0.00 C ATOM 1533 O HIS A 96 -5.359 6.944 1.438 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.124 7.759 3.407 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.599 7.995 4.788 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.802 7.083 5.796 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -1.918 9.055 5.278 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.250 7.608 6.873 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.702 8.803 6.608 1.00 0.00 N ATOM 0 H HIS A 96 -5.836 6.902 3.876 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.470 9.440 3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.164 6.686 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.427 8.182 2.684 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.605 9.930 4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.241 7.136 7.844 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.217 9.409 7.270 1.00 0.00 H new ATOM 1547 N ARG A 97 -4.884 9.070 0.898 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.190 8.900 -0.510 1.00 0.00 C ATOM 1549 C ARG A 97 -3.886 8.716 -1.268 1.00 0.00 C ATOM 1550 O ARG A 97 -3.012 9.581 -1.220 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.963 10.117 -1.028 1.00 0.00 C ATOM 1552 CG ARG A 97 -7.242 10.385 -0.247 1.00 0.00 C ATOM 1553 CD ARG A 97 -7.799 11.772 -0.515 1.00 0.00 C ATOM 1554 NE ARG A 97 -8.361 11.911 -1.857 1.00 0.00 N ATOM 1555 CZ ARG A 97 -8.366 13.054 -2.541 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.761 14.127 -2.046 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -8.971 13.123 -3.719 1.00 0.00 N ATOM 0 H ARG A 97 -4.615 10.019 1.159 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.818 8.021 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.321 10.997 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.210 9.963 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.990 9.638 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.044 10.275 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.571 11.996 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.007 12.508 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.772 11.086 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.292 14.076 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.765 15.002 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.434 12.300 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.973 14.000 -4.241 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.752 7.576 -1.938 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.499 7.199 -2.595 1.00 0.00 C ATOM 1573 C LEU A 98 -1.999 8.314 -3.513 1.00 0.00 C ATOM 1574 O LEU A 98 -2.552 8.550 -4.583 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.691 5.897 -3.382 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.238 4.722 -2.567 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.347 3.479 -3.434 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.360 4.446 -1.354 1.00 0.00 C ATOM 0 H LEU A 98 -4.500 6.891 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.743 7.040 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.369 6.090 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.733 5.606 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.234 4.990 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.737 2.653 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.020 3.675 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.361 3.215 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.770 3.607 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.350 4.203 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.331 5.330 -0.717 1.00 0.00 H new ATOM 1590 N THR A 99 -0.949 8.996 -3.076 1.00 0.00 N ATOM 1591 CA THR A 99 -0.464 10.172 -3.778 1.00 0.00 C ATOM 1592 C THR A 99 0.728 9.832 -4.671 1.00 0.00 C ATOM 1593 O THR A 99 0.682 10.027 -5.884 1.00 0.00 O ATOM 1594 CB THR A 99 -0.061 11.271 -2.778 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.072 11.400 -1.769 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.128 12.606 -3.483 1.00 0.00 C ATOM 0 H THR A 99 -0.418 8.754 -2.239 1.00 0.00 H new ATOM 0 HA THR A 99 -1.276 10.537 -4.407 1.00 0.00 H new ATOM 0 HB THR A 99 0.885 10.986 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.713 10.663 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.412 13.365 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.912 12.513 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.805 12.898 -3.966 1.00 0.00 H new ATOM 1604 N ASN A 100 1.785 9.305 -4.068 1.00 0.00 N ATOM 1605 CA ASN A 100 3.000 8.996 -4.803 1.00 0.00 C ATOM 1606 C ASN A 100 3.501 7.624 -4.389 1.00 0.00 C ATOM 1607 O ASN A 100 3.252 7.176 -3.271 1.00 0.00 O ATOM 1608 CB ASN A 100 4.077 10.057 -4.544 1.00 0.00 C ATOM 1609 CG ASN A 100 4.803 9.864 -3.223 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.847 9.217 -3.169 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.272 10.435 -2.156 1.00 0.00 N ATOM 0 H ASN A 100 1.824 9.083 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 100 2.779 8.995 -5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.803 10.034 -5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.615 11.044 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.730 10.346 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.404 10.964 -2.240 1.00 0.00 H new ATOM 1618 N VAL A 101 4.195 6.953 -5.288 1.00 0.00 N ATOM 1619 CA VAL A 101 4.656 5.604 -5.020 1.00 0.00 C ATOM 1620 C VAL A 101 6.041 5.638 -4.381 1.00 0.00 C ATOM 1621 O VAL A 101 6.849 6.521 -4.674 1.00 0.00 O ATOM 1622 CB VAL A 101 4.694 4.745 -6.302 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.639 3.269 -5.942 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.553 5.108 -7.245 1.00 0.00 C ATOM 0 H VAL A 101 4.451 7.317 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 101 3.946 5.147 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 101 5.631 4.949 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.666 2.671 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.494 3.015 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.717 3.061 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.607 4.486 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.600 4.941 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.635 6.157 -7.528 1.00 0.00 H new ATOM 1634 N CYS A 102 6.292 4.683 -3.499 1.00 0.00 N ATOM 1635 CA CYS A 102 7.553 4.594 -2.770 1.00 0.00 C ATOM 1636 C CYS A 102 8.756 4.621 -3.711 1.00 0.00 C ATOM 1637 O CYS A 102 8.769 3.947 -4.744 1.00 0.00 O ATOM 1638 CB CYS A 102 7.580 3.309 -1.942 1.00 0.00 C ATOM 1639 SG CYS A 102 9.104 3.064 -0.995 1.00 0.00 S ATOM 0 H CYS A 102 5.627 3.945 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 102 7.620 5.463 -2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.735 3.317 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.440 2.458 -2.609 1.00 0.00 H new ATOM 0 HG CYS A 102 10.131 3.259 -1.768 1.00 0.00 H new ATOM 1645 N PRO A 103 9.770 5.431 -3.373 1.00 0.00 N ATOM 1646 CA PRO A 103 11.042 5.450 -4.093 1.00 0.00 C ATOM 1647 C PRO A 103 11.785 4.131 -3.924 1.00 0.00 C ATOM 1648 O PRO A 103 11.852 3.585 -2.822 1.00 0.00 O ATOM 1649 CB PRO A 103 11.826 6.597 -3.437 1.00 0.00 C ATOM 1650 CG PRO A 103 10.811 7.385 -2.679 1.00 0.00 C ATOM 1651 CD PRO A 103 9.753 6.405 -2.269 1.00 0.00 C ATOM 0 HA PRO A 103 10.909 5.588 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.602 6.214 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.323 7.213 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.259 7.864 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.390 8.178 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.984 5.937 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.778 6.881 -2.164 1.00 0.00 H new ATOM 1659 N THR A 104 12.327 3.618 -5.017 1.00 0.00 N ATOM 1660 CA THR A 104 13.013 2.335 -5.009 1.00 0.00 C ATOM 1661 C THR A 104 14.380 2.402 -4.328 1.00 0.00 C ATOM 1662 O THR A 104 14.980 1.369 -4.026 1.00 0.00 O ATOM 1663 CB THR A 104 13.192 1.824 -6.444 1.00 0.00 C ATOM 1664 OG1 THR A 104 12.918 2.886 -7.372 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.264 0.654 -6.720 1.00 0.00 C ATOM 0 H THR A 104 12.305 4.075 -5.929 1.00 0.00 H new ATOM 0 HA THR A 104 12.389 1.650 -4.436 1.00 0.00 H new ATOM 0 HB THR A 104 14.221 1.486 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.035 2.558 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.409 0.308 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.487 -0.158 -6.028 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.230 0.971 -6.587 1.00 0.00 H new ATOM 1673 N SER A 105 14.886 3.602 -4.100 1.00 0.00 N ATOM 1674 CA SER A 105 16.184 3.760 -3.464 1.00 0.00 C ATOM 1675 C SER A 105 16.160 4.854 -2.403 1.00 0.00 C ATOM 1676 O SER A 105 15.614 5.937 -2.615 1.00 0.00 O ATOM 1677 CB SER A 105 17.246 4.070 -4.519 1.00 0.00 C ATOM 1678 OG SER A 105 17.351 3.008 -5.455 1.00 0.00 O ATOM 0 H SER A 105 14.422 4.477 -4.344 1.00 0.00 H new ATOM 0 HA SER A 105 16.431 2.822 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.991 4.994 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.209 4.231 -4.035 1.00 0.00 H new ATOM 0 HG SER A 105 18.035 3.227 -6.122 1.00 0.00 H new ATOM 1684 N LYS A 106 16.753 4.558 -1.257 1.00 0.00 N ATOM 1685 CA LYS A 106 16.882 5.532 -0.191 1.00 0.00 C ATOM 1686 C LYS A 106 18.296 6.100 -0.184 1.00 0.00 C ATOM 1687 O LYS A 106 18.441 7.329 -0.308 1.00 0.00 O ATOM 1688 CB LYS A 106 16.532 4.916 1.170 1.00 0.00 C ATOM 1689 CG LYS A 106 17.381 3.710 1.553 1.00 0.00 C ATOM 1690 CD LYS A 106 17.046 3.207 2.948 1.00 0.00 C ATOM 1691 CE LYS A 106 17.908 2.014 3.334 1.00 0.00 C ATOM 1692 NZ LYS A 106 19.346 2.372 3.458 1.00 0.00 N ATOM 1693 OXT LYS A 106 19.256 5.301 -0.119 1.00 0.00 O ATOM 0 H LYS A 106 17.154 3.645 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 106 16.176 6.342 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 106 16.640 5.680 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.483 4.619 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.224 2.910 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.436 3.978 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.191 4.011 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 106 15.994 2.926 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 106 17.555 1.605 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.795 1.230 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 19.863 1.585 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 19.740 2.559 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 19.442 3.223 4.048 1.00 0.00 H new TER 1707 LYS A 106